BDBM50415455 CHEMBL603878

SMILES: CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O

InChI Key: InChIKey=BIBLAKNTLNUCAP-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50415455   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50415455 (CHEMBL603878) Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O2S2/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter				Bioorg Med Chem 18: 2001-9 (2010) Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50415455 (CHEMBL603878) Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O2S2/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by microplate beta scintillation counter				Bioorg Med Chem 18: 2001-9 (2010) Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50415455 (CHEMBL603878) Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O2S2/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Porto Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells by microplate beta scintillation counter				Bioorg Med Chem 18: 2001-9 (2010) Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3
					More data for this Ligand-Target Pair